Re: [AMBER] MPI install with openmpi

From: Makoto Chikira <>
Date: Sun, 6 Oct 2013 00:37:08 +0900

Dear dac,

Attached is the config.h file and (2) worked nice to get a message
"Installation of amber12 (parallel) is complete at 2013.10.6 Sunday 00:04:32
JST". I will check next how the compiled amber12 and AmberTools13 work.

Thank you for your quick response!


-----Original Message-----
From: case []
Sent: Saturday, October 05, 2013 10:28 PM
To: AMBER Mailing List
Subject: Re: [AMBER] MPI install with openmpi

On Sat, Oct 05, 2013, Makoto Chikira wrote:
> I am trying to install MPI version of Amber12 and AmberTool13.
> "./configure_openmpi gnu" and "./configure -mpi gnu" looked normally
> finished. However, "make install" resulted error messages, part of
> which are listed below.
> I am using CentOS6.4, openmpi-1.7.2, and gnu compiler.

1. Could you send your config.h file?
2. Try this: cd to $AMBERHOME/src and type "make parallel". It could be
    there is something funny about compiling mdgx.MPI with this combination.
3. If (2) doesn't work, we will need to see more of the build output, in
    particular, the actual link command that led to the "undefined


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